1,9-Diphenyl-2,5,8-trithiotriurea
TL;DR: 1,9-Diphenyl-2,5,8-trithiotriurea (CAS 5319-78-8) is a chemical compound with molecular formula C15H16N6S3 and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(phenylcarbamothioylamino)thiourea
Also Known As: 1,3-bis(phenylcarbamothioylamino)thiourea, 1,9-DIPHENYL-2,5,8-TRITHIOTRIUREA, 1,3-bis(phenylthiocarbamoylamino)thiourea, 1.5-Bis-anilinothioformyl-thiocarbohydrazid, 2,2'-Carbonothioylbis(N-phenylhydrazine-1-carbothioamide)
| Molecular Formula | C15H16N6S3 |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 2.2537 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.05984 |
| Heavy Atoms | 24 |
| Complexity | 633.3703 |
Chemical Identifiers
| CAS Number | 5319-78-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NNC(=S)NNC(=S)NC2=CC=CC=C2 |
Product Overview
1,9-Diphenyl-2,5,8-trithiotriurea (CAS 5319-78-8), with molecular formula C15H16N6S3 and molecular weight 376.06 g/mol. IUPAC: 1,3-bis(phenylcarbamothioylamino)thiourea.
Chemical Property Profile of 1,9-Diphenyl-2,5,8-trithiotriurea
Property Insights of 1,9-Diphenyl-2,5,8-trithiotriurea
The XLogP value of 2.2537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,9-Diphenyl-2,5,8-trithiotriurea. The TPSA of 72.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,9-Diphenyl-2,5,8-trithiotriurea. Following Lipinski's Rule of Five, 1,9-Diphenyl-2,5,8-trithiotriurea has 6 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,9-Diphenyl-2,5,8-trithiotriurea?
The CAS number of 1,9-Diphenyl-2,5,8-trithiotriurea is 5319-78-8.
What is the molecular formula of 1,9-Diphenyl-2,5,8-trithiotriurea?
The molecular formula of 1,9-Diphenyl-2,5,8-trithiotriurea is C15H16N6S3.
What is the molecular weight of 1,9-Diphenyl-2,5,8-trithiotriurea?
The molecular weight of 1,9-Diphenyl-2,5,8-trithiotriurea is 376.06 g/mol.
Where can I buy 1,9-Diphenyl-2,5,8-trithiotriurea?
You can request a quote for 1,9-Diphenyl-2,5,8-trithiotriurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,9-Diphenyl-2,5,8-trithiotriurea?
Yes, KEHONG BIO provides custom synthesis services for 1,9-Diphenyl-2,5,8-trithiotriurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.